2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide

C18H21FN2O3S — CID 11462663

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12-4-6-14(7-5-12)11-20-18(22)13(2)15-8-9-17(16(19)10-15)21-25(3,23)24/h4-10,13,21H,11H2,1-3H3,(H,20,22)
InChIKeyZVWOYFINMRDWKN-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.93
Rot. Bonds6

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 11462663) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID11462663
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-12-4-6-14(7-5-12)11-20-18(22)13(2)15-8-9-17(16(19)10-15)21-25(3,23)24/h4-10,13,21H,11H2,1-3H3,(H,20,22)
InChIKeyZVWOYFINMRDWKN-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide (CID 11462663) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is ZVWOYFINMRDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-4-6-14(7-5-12)11-20-18(22)13(2)15-8-9-17(16(19)10-15)21-25(3,23)24/h4-10,13,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 11462663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).